N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(prop-2-en-1-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(prop-2-en-1-yl)butanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(prop-2-en-1-yl)butanamide
Compound characteristics
| Compound ID: | V009-1073 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(prop-2-en-1-yl)butanamide |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC=C)C(CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7181 |
| logD: | 4.7181 |
| logSw: | -4.6536 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.989 |
| InChI Key: | CCSLNPNOBNAIFR-UHFFFAOYSA-N |